Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 2 results

Search term: HAPWUGIDIIBQHS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
170428

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(41)29(49-32(40)20-12-10-9-11-13-20)24(21)36(42,31(30(34)46-7)48-19(3)39)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,41-42H,8,14-17H2,1-7H3/t21-,22+,23-,24+,25?,26-,27+,28?,29+,30-,31-,33-,34-,35?,36+/m0/s1
C36H49NO12687.77382200
57522450

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(41)29(49-32(40)20-12-10-9-11-13-20)24(21)36(42,31(30(34)46-7)48-19(3)39)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,41-42H,8,14-17H2,1-7H3
C36H49NO12687.77381100

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